N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

C18H25N5O4 — CID 131690627

IUPACN-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCCn3cnc(C(=O)NCC(C)(C)C)c3C2)on1
InChIInChI=1S/C18H25N5O4/c1-18(2,3)10-19-16(24)15-12-9-22(6-5-7-23(12)11-20-15)17(25)13-8-14(26-4)21-27-13/h8,11H,5-7,9-10H2,1-4H3,(H,19,24)
InChIKeySACFOBJBQRTRPF-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.70
Rot. Bonds4

About N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (PubChem CID 131690627) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
PubChem CID131690627
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC NameN-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCCn3cnc(C(=O)NCC(C)(C)C)c3C2)on1
InChIInChI=1S/C18H25N5O4/c1-18(2,3)10-19-16(24)15-12-9-22(6-5-7-23(12)11-20-15)17(25)13-8-14(26-4)21-27-13/h8,11H,5-7,9-10H2,1-4H3,(H,19,24)
InChIKeySACFOBJBQRTRPF-UHFFFAOYSA-N
XLogP1.70
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (CID 131690627) is N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is COc1cc(C(=O)N2CCCn3cnc(C(=O)NCC(C)(C)C)c3C2)on1.
What is the InChIKey of N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The InChIKey is SACFOBJBQRTRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-18(2,3)10-19-16(24)15-12-9-22(6-5-7-23(12)11-20-15)17(25)13-8-14(26-4)21-27-13/h8,11H,5-7,9-10H2,1-4H3,(H,19,24).
What are the key properties of N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-8-(3-methoxy-1,2-oxazole-5-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 131690627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).